butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate

C24H34N2O2 — CID 89135564

IUPACbutyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate
SMILESCCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C24H34N2O2/c1-5-6-15-28-24(27)26(14-13-18(2)3)17-20-7-12-23(19(4)16-20)21-8-10-22(25)11-9-21/h7-12,16,18H,5-6,13-15,17,25H2,1-4H3
InChIKeyITLQLFSANHWTBI-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.03
Rot. Bonds9

About butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate

butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate (PubChem CID 89135564) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Namebutyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate
PubChem CID89135564
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Namebutyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate
SMILESCCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2ccc(N)cc2)c(C)c1
InChIInChI=1S/C24H34N2O2/c1-5-6-15-28-24(27)26(14-13-18(2)3)17-20-7-12-23(19(4)16-20)21-8-10-22(25)11-9-21/h7-12,16,18H,5-6,13-15,17,25H2,1-4H3
InChIKeyITLQLFSANHWTBI-UHFFFAOYSA-N
XLogP6.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

butyl N-[[4-(4-carbamoyl-3-hydroxyphenoxy)-3-fluorophenyl]methyl]-N-(3-methylbutyl)carbamate
CID 70954809
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
butyl N-[2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]ethyl]-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamate
CID 91574932
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
1-[4-(4-hexyl-2-methylphenyl)phenyl]ethanone
CID 142228673
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
butyl 4-(4-aminophenyl)butanoate
CID 89374601
butyl 2-[(4-aminophenyl)methylsulfonyl]propanoate
CID 82177698
N-[(4-aminophenyl)methyl]-2-ethyl-N-propylhexanamide
CID 43459457
butyl N-[3-[4-[[acetyl(ethyl)amino]methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
CID 11409313

Frequently Asked Questions

What is the IUPAC name of butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate?
The IUPAC name of butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate (CID 89135564) is butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate.
What is the SMILES notation for butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate?
The canonical SMILES for butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate is CCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2ccc(N)cc2)c(C)c1.
What is the InChIKey of butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate?
The InChIKey is ITLQLFSANHWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-5-6-15-28-24(27)26(14-13-18(2)3)17-20-7-12-23(19(4)16-20)21-8-10-22(25)11-9-21/h7-12,16,18H,5-6,13-15,17,25H2,1-4H3.
What are the key properties of butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate?
butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate has a molecular weight of 382.55 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[[4-(4-aminophenyl)-3-methylphenyl]methyl]-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 89135564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).